Chemical Components in the PDB

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R2R : Summary

Code

R2R

One-letter code

X

Molecule name

ruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2)

Systematic names

ProgramVersionName
ACDLabs 12.01 ruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2)

Formula

H28 N14 O2 Ru3

Formal charge

0

Molecular weight

559.525 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N[Ru](N)(N)(N)(O[Ru](N)(N)(N)(N)N)O[Ru](N)(N)(N)(N)N
SMILES CACTVS 3.385 N[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)N
SMILES OpenEye OEToolkits 2.0.7 N[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)N
Canonical SMILES CACTVS 3.385 N[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)N
Canonical SMILES OpenEye OEToolkits 2.0.7 N[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)N

IUPAC InChI

InChI=1S/14H2N.2O.3Ru/h14*1H2;;;;;/q14*-1;;;+4;2*+5

IUPAC InChI key

FOOPNNMQSUSGAT-UHFFFAOYSA-N
R2R

wwPDB Information

Atom count

47 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-10-02

Last modified at

2019-11-22

Status

Released

Obsoleted

Not Assigned